3'-O-(Methoxyacetyl)Thymidine

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Properties Simple | Detailed

Formula C13H18N2O7++
IUPAC Name [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] 2-methoxyacetate
Molecular Mass 314.291 g·mol−1
Heat of Formation -1219.2 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 349.35 Å 3
Surface Area 312.09 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methoxyacetic acid [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-tetrahydrofuranyl] ester
  • 2-methoxyacetic acid [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] ester
  • 3-mat
  • 3-o-methoxyacetylthymidine
  • [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] 2-methoxyethanoate
  • [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] 2-methoxyacetate
  • [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-methoxyacetate
  • thymidine, 3'-(methoxyacetate)
CAS Number(s)
  • 57064-86-5
InChIKey GLOVHDDZIBVWIO-IVZWLZJFSA-N
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